4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine

C16H16N4 — CID 103962883

IUPAC4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
SMILESCN(Cc1ccncc1)c1c(N)cnc2ccccc12
InChIInChI=1S/C16H16N4/c1-20(11-12-6-8-18-9-7-12)16-13-4-2-3-5-15(13)19-10-14(16)17/h2-10H,11,17H2,1H3
InChIKeyPGXYKDXSVUERMC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.85
Rot. Bonds3

About 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine

4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine (PubChem CID 103962883) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
PubChem CID103962883
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
SMILESCN(Cc1ccncc1)c1c(N)cnc2ccccc12
InChIInChI=1S/C16H16N4/c1-20(11-12-6-8-18-9-7-12)16-13-4-2-3-5-15(13)19-10-14(16)17/h2-10H,11,17H2,1H3
InChIKeyPGXYKDXSVUERMC-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 150061818
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
CID 103963106
4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
CID 103962715
4-[methyl(thiophen-3-ylmethyl)amino]quinoline-3-carbothioamide
CID 43669662

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine (CID 103962883) is 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine is CN(Cc1ccncc1)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The InChIKey is PGXYKDXSVUERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(11-12-6-8-18-9-7-12)16-13-4-2-3-5-15(13)19-10-14(16)17/h2-10H,11,17H2,1H3.
What are the key properties of 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103962883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).